calcium 3-acetamidobutane-1-sulfonate

Systemtic Name: calcium 3-acetamidobutane-1-sulfonate Openeye Name: calcium 3-acetamidobutane-1-sulfonate CAS Name: calcium 3-acetamido-1-butanesulfonate IUPAC Name: calcium 3-acetamidobutane-1-sulfonate Traditional Name: calcium 3-acetamidobutane-1-sulfonate Formula: C6H12CaNO4S+ MolecularWeight: 234.30678

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)[O-])NC(=O)C.[Ca+2]

Isomeric SMILES

CC(CCS(=O)(=O)[O-])NC(=O)C.[Ca+2]

InChI

InChI=1S/C6H13NO4S.Ca/c1-5(7-6(2)8)3-4-12(9,10)11;/h5H,3-4H2,1-2H3,(H,7,8)(H,9,10,11);/q;+2/p-1